In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 5th, 2005 | 20 | Yes |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.96 | 10.77 | -35.5 | 1 | 2 | 1 | 8 | 287.814 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.96 | 8.54 | -3.9 | 0 | 2 | 0 | 6 | 286.806 | 3 | ↓ |